SCHEMBL21363587

SCHEMBL21363587

Cn1ncc2nc(N)n(C(C)(C)C)c(=O)c21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
TRPA1 O75762 2/20 0.37
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26156172 0.82 TRPA1 (0.32) ALDH1A1TRPA1
SCHEMBL25165844 0.81 TRPA1 (0.31) TRPA1
SCHEMBL21393582 0.80 KDM4E (0.49) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL21393588 0.78 ALDH1A1 (0.41) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL22477705 0.75 ALDH1A1 (0.39) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL22477732 0.73 ALDH1A1 (0.38) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL25165851 0.72 KDM4E (0.41) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL21363714 0.70 TRPA1 (0.35) TRPA1
SCHEMBL21363373 0.69 TRPA1 (0.37) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL21363361 0.68 ALDH1A1 (0.41) ALDH1A1TRPA1CYP1A2POLBCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 US disclosed
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 US disclosed
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2020-10-01 US disclosed
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 US disclosed
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 ALDH1A1 665/4885ADORA3 37/4885ADORA2A 120/4885
US-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 ALDH1A1 721/4885ADORA3 55/4885ADORA2A 209/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 ALDH1A1 665/4885ADORA3 37/4885ADORA2A 120/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 ALDH1A1 721/4885ADORA3 55/4885ADORA2A 209/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.